4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile
4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile structure
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Common Name | 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbonitrile | ||
|---|---|---|---|---|
| CAS Number | 680210-85-9 | Molecular Weight | 204.61200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C10H5ClN2O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C10H5ClN2O |
|---|---|
| Molecular Weight | 204.61200 |
| Exact Mass | 204.00900 |
| PSA | 56.91000 |
| LogP | 2.46548 |
| InChIKey | JWBMUCZTOBYSEM-UHFFFAOYSA-N |
| SMILES | N#Cc1c(Cl)c2ccccc2[nH]c1=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933499090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~93%
4-Chloro-2-oxo-... CAS#:680210-85-9 |
| Literature: AVANIR PHARMACEUTICALS Patent: WO2004/74218 A2, 2004 ; Location in patent: Page 135 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933499090 |
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| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a ...
Source: ChEMBL
Target: HepG2-CD81
External Id: CHEMBL4483864
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Name: Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a ...
Source: ChEMBL
Target: Plasmodium berghei
External Id: CHEMBL4483863
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3(2H)-Isothiazolone,4-chloro-2-octyl |
| 4-Chloro-2-n-octyl-3(2H)-isothiazolone |
| 4-chloro-2-octyl-isothiazol-3-one |
| 4-Chlor-2-n-octyl-4-isothiazolin-3-on |
| 4-chloro-2-octyl-2H-isothiazol-3-one |
| 4-chloro-2-oxo-1,2-dihydro-quinoline-3-carbonitrile |
| 4-Chloro-2-octyl-4-isothiazolin-3-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: Molecular formula of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is C10H5ClN2O. |
| Q: What are the upstream materials of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: Related upstream materials(CAS) of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile: 69875-54-3. |
| Q: What English synonyms does 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile have? |
| A: English synonyms of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile: 3(2H)-Isothiazolone,4-chloro-2-octyl, 4-Chloro-2-n-octyl-3(2H)-isothiazolone, 4-chloro-2-octyl-isothiazol-3-one, 4-Chlor-2-n-octyl-4-isothiazolin-3-on, 4-chloro-2-octyl-2H-isothiazol-3-one, 4-chloro-2-oxo-1,2-dihydro-quinoline-3-carbonitrile, 4-Chloro-2-octyl-4-isothiazolin-3-one. |
| Q: What is the InChIKey of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: InChIKey of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is JWBMUCZTOBYSEM-UHFFFAOYSA-N. |
| Q: What is the CAS number of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: CAS number of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is 680210-85-9. |
| Q: What is the polar surface area (PSA) of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: Polar surface area (PSA) of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is 56.91000. |
| Q: What is the English name of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: The English name of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile. |
| Q: What is the molecular weight of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: Molecular weight of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is 204.61200. |
| Q: What is the SMILES notation of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: SMILES notation of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is N#Cc1c(Cl)c2ccccc2[nH]c1=O. |
| Q: What is the LogP of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile? |
| A: LogP of 4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile is 2.46548. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |